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· · COA & SDS available for every product · Same-day shipping on in-stock items Avanafil - Moligand™, ≥99% , Phosphodiesterase 5A inhibitor, CAS No.330784-47-9, Phosphodiesterase 5A inhibitor
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99% Synonyms
4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)-1-pyrrolidinyl)-n-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide | AVANAFIL [WHO-DD] | MFCD11977961 | TA1790 | TA-1790 | UNII-DR5S136IVO | (S)-4-[(3-Chlor-4-methoxybenzyl)amino]-2-[2-(hydroxymethyl)-
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview Avanafil is a highly selective PDE5 inhibitor with IC50 of 5.2 nM, >121-fold selectivity over other PDEs.
Specifications Synonyms
4-((3-chloro-4-methoxybenzyl)amino)-2-(2-(hydroxymethyl)-1-pyrrolidinyl)-n-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide | AVANAFIL [WHO-DD] | MFCD11977961 | TA1790 | TA-1790 | UNII-DR5S136IVO | (S)-4-[(3-Chlor-4-methoxybenzyl)amino]-2-[2-(hydroxymethyl)-
Specifications & Purity
Moligand™, ≥99%
Biochemical and Physiological Mechanisms
Avanafil is an orally active, potent and selective phosphodiesterase-5 (PDE5) inhibitor (IC50 = 5.2 nM) with superior PDE5 selectivity (19, 000-, >10, 000-, 121-fold over PDE1, PDE11, PDE6, respectively) when compared with tadalafil (25-fold over PDE11), si
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Phosphodiesterase 5A inhibitor
Product Properties Names and Identifiers Pubchem Sid 488196380 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488196380 Canonical Smiles COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO)Cl IUPAC Name 4-[(3-chloro-4-methoxyphenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimidine-5-carboxamide InChIKey WEAJZXNPAWBCOA-INIZCTEOSA-N INCHI 1S/C23H26ClN7O3/c1-34-19-6-5-15(10-18(19)24)11-27-21-17(22(33)28-13-20-25-7-3-8-26-20)12-29-23(30-21)31-9-2-4-16(31)14-32/h3,5-8,10,12,16,32H,2,4,9,11,13-14H2,1H3,(H,28,33)(H,27,29,30)/t16-/m0/s1 Isomeric SMILES COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCC[C@H]4CO)Cl Molecular Weight 483.95 Reaxy-Rn 38205117 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38205117&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Diazines Subclass Pyrimidines and pyrimidine derivatives Intermediate Tree Nodes Pyrimidinecarboxylic acids and derivatives Direct Parent Pyrimidinecarboxamides Alternative Parents Anisoles Benzylamines Phenoxy compounds Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Secondary alkylarylamines Chlorobenzenes Aryl chlorides Imidolactams Heteroaromatic compounds Vinylogous amides Pyrrolidines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organochlorides Organopnictogen compounds Primary alcohols Organic oxides Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyrimidinecarboxamide - Anisole - Benzylamine - Phenol ether - Dialkylarylamine - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrrolidine - Heteroaromatic compound - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Secondary amine - Organooxygen compound - Amine - Hydrocarbon derivative - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Alcohol - Primary alcohol - Organic nitrogen compound - Organic oxide - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyrimidinecarboxamides. These are compounds containing a pyrimidine ring which bears a carboxamide. External Descriptors monocarboxylic acid amide - organochlorine compound - pyrimidines - aromatic amide - prolinols Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO 97 mg/mL (200 mM) Water <1 mg/mL (<1 mM) Ethanol <1 mg/mL (<1 mM) , DMSO 97 mg/mL (200 mM) Water <1 mg/mL (<1 mM) Ethanol <1 mg/mL (<1 mM) Sensitivity Air sensitive; Heat sensitive Specific Rotation[α] -62.0 to -72.0 deg (C=1, methanol) Melt Point(°C) 165℃ Molecular Weight 483.900 g/mol XLogP3 2.600 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 9 Exact Mass 483.179 Da Monoisotopic Mass 483.179 Da Topological Polar Surface Area 125.000 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 642.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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